SCHEMBL9539418

SCHEMBL9539418

CCOC(=O)N1C/C(=C/N(C)C)C(=O)c2cc(Cl)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.42
GABRG2 P18507 3/20 0.40
GABRB3 P28472 3/20 0.40
GABRA5 P31644 3/20 0.40
GABRA1 P14867 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRA6 Q16445 1/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ADRB2 P07550 1/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.37
USP2 O75604 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9539420 1.00 ADORA3 (0.42) ADORA3GABRG2GABRB3GABRA5GABRA1
SCHEMBL9539213 0.86 ADORA3 (0.41) ADORA3GABRG2GABRB3GABRA5GABRA1
SCHEMBL9539218 0.86 ADORA3 (0.41) ADORA3GABRG2GABRB3GABRA5GABRA1
SCHEMBL9538285 0.83 KMT2A (0.36) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL9538292 0.83 KMT2A (0.36) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL9539432 0.82 GABRA1 (0.33) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL9539428 0.82 GABRA1 (0.33) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL9536729 0.82 CXCL12 (0.36) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL9536715 0.82 CXCL12 (0.36) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL9538869 0.81 DRD2 (0.41) GABRG2GABRB3GABRA5GABRA1GABRA3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0180352-B1 BENZENE-FUSED HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-26 EP disclosed
US-4675324-A Substituted pyrazolo [4,3-c]pyridines and their use as uricosuric, diuretic and anti-hypertensive agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-06-23 US disclosed